SCHEMBL8564139

SCHEMBL8564139

CC(C)COC(=O)CCc1ccc(N2CCN(c3ccc4c(c3)CCNC4)C2=O)cc1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 2/20 0.35
ASIC3 Q9UHC3 1/20 0.35
HTR6 P50406 4/20 0.35
S1PR1 P21453 1/20 0.33
PARP1 P09874 1/20 0.33
PARP2 Q9UGN5 1/20 0.33
PARP3 Q9Y6F1 1/20 0.33
PLAU P00749 1/20 0.33
F10 P00742 2/20 0.33
MLNR O43193 1/20 0.33
FAAH O00519 1/20 0.32
HDAC1 Q13547 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL8567567 0.99 PTGER1 (0.36) PTGER1ASIC3HTR6S1PR1PARP1
SCHEMBL8563370 0.88 ASIC3 (0.40) ASIC3HTR6S1PR1PARP1PARP2
Acetic Acid SCHEMBL8895876 0.85 ASIC3 (0.38) ASIC3HTR6S1PR1PARP1PARP2
SCHEMBL8557059 0.83 S1PR1 (0.43) ASIC3HTR6S1PR1PARP1PARP2
SCHEMBL8558614 0.83 HTR6 (0.38) HTR6S1PR1MLNRFAAH
Hydrochloric Acid SCHEMBL8568700 0.82 HTR6 (0.38) HTR6S1PR1MLNRFAAH
SCHEMBL8559578 0.81 HTR6 (0.42) HTR6S1PR1MLNRHDAC1
Hydrochloric Acid SCHEMBL8566255 0.81 HTR6 (0.41) HTR6S1PR1MLNRHDAC1
SCHEMBL8560429 0.77 HTR6 (0.47) HTR6S1PR1F10
SCHEMBL8566149 0.77 HTR6 (0.39) PTGER1ASIC3HTR6PARP1PARP2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0612741-B1 Cyclic derivatives, medicaments containing them and process for their preparation THOMAE GMBH DR K (DE) 1998-06-10 EP claimed
US-5519036-A IMIDAZOLIDINONES, ANTICOAGULANTS, CELL AGGREGATION PREVENTION KARL THOMAE GMBH (DE) 1996-05-21 US claimed
EP-0612741-A1 Cyclic derivatives, medicaments containing them and process for their preparation Dr. Karl Thomae GmbH (DE) 1994-08-31 EP claimed
US-5827849-A HAVING INHIBITORY EFFECT ON INFLAMMATION AND BONE DEGRADATION, ANTITHROMBOTIC, ANTIAGGREGATORY AND TUMOR- OR METASTASIS-INHIBITING EFFECT KARL THOMAE GMBH (DE) 1998-10-27 US disclosed
EP-0612741-B1 Cyclic derivatives, medicaments containing them and process for their preparation THOMAE GMBH DR K (DE) 1998-06-10 EP disclosed
US-5612335-A ANTICOAGULANTS; COMBATING/PREVENTING DISEASES WHERE CELL AGGREGATES OCCUR OR CELL-MATRIX INTERACTIONS PLAY A PART KARL THOMAE GMBH (DE) 1997-03-18 US disclosed
US-5519036-A IMIDAZOLIDINONES, ANTICOAGULANTS, CELL AGGREGATION PREVENTION KARL THOMAE GMBH (DE) 1996-05-21 US disclosed
EP-0612741-A1 Cyclic derivatives, medicaments containing them and process for their preparation Dr. Karl Thomae GmbH (DE) 1994-08-31 EP disclosed